USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -3.1! C(o=-9!,f=-5.9!) USER MOD Set 1.2: A 25 ASN : amide:sc= -5.94! C(o=-9!,f=-12!) USER MOD Set 2.1: A 17 GLN : amide:sc= -3.12! C(o=-2.2!,f=-1.7!) USER MOD Set 2.2: A 41 TYR OH : rot 150:sc= 0.875 USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 TYR OH : rot 180:sc= -1.58 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -1.89! C(o=-1.9!,f=-4.5!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.966 (180deg=0.589) USER MOD Single : A 32 LYS NZ :NH3+ -164:sc= 0.651 (180deg=0.431) USER MOD Single : A 33 HIS : no HD1:sc= -0.0881 X(o=-0.088,f=-0.29) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.63 K(o=-1.6,f=-2.2) USER MOD Single : A 48 GLN : amide:sc= -1.82 K(o=-1.8,f=-3.5!) USER MOD Single : A 53 TYR OH : rot -125:sc= 0.446 USER MOD ----------------------------------------------------------------- ATOM 52 N CYS A 4 7.429 -3.059 -1.831 1.00 0.00 N ATOM 53 CA CYS A 4 8.134 -4.086 -2.589 1.00 0.00 C ATOM 54 C CYS A 4 8.833 -3.482 -3.804 1.00 0.00 C ATOM 55 O CYS A 4 8.265 -2.649 -4.510 1.00 0.00 O ATOM 56 CB CYS A 4 7.160 -5.177 -3.037 1.00 0.00 C ATOM 57 SG CYS A 4 5.560 -4.545 -3.637 1.00 0.00 S ATOM 0 HA CYS A 4 8.890 -4.527 -1.939 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.627 -5.763 -3.829 1.00 0.00 H new ATOM 0 HB3 CYS A 4 6.981 -5.854 -2.202 1.00 0.00 H new ATOM 62 N LYS A 5 10.068 -3.909 -4.041 1.00 0.00 N ATOM 63 CA LYS A 5 10.846 -3.413 -5.170 1.00 0.00 C ATOM 64 C LYS A 5 12.084 -4.274 -5.398 1.00 0.00 C ATOM 65 O LYS A 5 12.401 -5.150 -4.593 1.00 0.00 O ATOM 66 CB LYS A 5 11.259 -1.959 -4.933 1.00 0.00 C ATOM 67 CG LYS A 5 12.374 -1.803 -3.913 1.00 0.00 C ATOM 68 CD LYS A 5 11.924 -0.982 -2.716 1.00 0.00 C ATOM 69 CE LYS A 5 13.010 -0.019 -2.260 1.00 0.00 C ATOM 70 NZ LYS A 5 14.241 -0.736 -1.826 1.00 0.00 N ATOM 0 H LYS A 5 10.552 -4.598 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 5 10.220 -3.465 -6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 5 11.579 -1.522 -5.879 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.390 -1.393 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.702 -2.787 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 5 13.233 -1.323 -4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.025 -0.422 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.659 -1.649 -1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.255 0.664 -3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.634 0.589 -1.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.925 -0.052 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.998 -1.430 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.662 -1.228 -2.640 1.00 0.00 H new ATOM 84 N LYS A 6 12.782 -4.018 -6.500 1.00 0.00 N ATOM 85 CA LYS A 6 13.988 -4.768 -6.833 1.00 0.00 C ATOM 86 C LYS A 6 15.021 -3.866 -7.501 1.00 0.00 C ATOM 87 O LYS A 6 14.819 -3.397 -8.621 1.00 0.00 O ATOM 88 CB LYS A 6 13.646 -5.940 -7.755 1.00 0.00 C ATOM 89 CG LYS A 6 12.896 -7.063 -7.059 1.00 0.00 C ATOM 90 CD LYS A 6 12.901 -8.335 -7.889 1.00 0.00 C ATOM 91 CE LYS A 6 14.071 -9.235 -7.522 1.00 0.00 C ATOM 92 NZ LYS A 6 13.855 -10.638 -7.973 1.00 0.00 N ATOM 0 H LYS A 6 12.533 -3.297 -7.177 1.00 0.00 H new ATOM 0 HA LYS A 6 14.413 -5.155 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.044 -5.573 -8.587 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.568 -6.338 -8.179 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.352 -7.259 -6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.868 -6.754 -6.872 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.965 -8.873 -7.738 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.955 -8.080 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.984 -8.845 -7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.216 -9.219 -6.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.674 -11.219 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 12.998 -11.019 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.742 -10.657 -9.007 1.00 0.00 H new ATOM 106 N VAL A 7 16.130 -3.629 -6.808 1.00 0.00 N ATOM 107 CA VAL A 7 17.196 -2.786 -7.335 1.00 0.00 C ATOM 108 C VAL A 7 17.970 -3.503 -8.436 1.00 0.00 C ATOM 109 O VAL A 7 18.179 -4.715 -8.373 1.00 0.00 O ATOM 110 CB VAL A 7 18.177 -2.362 -6.226 1.00 0.00 C ATOM 111 CG1 VAL A 7 19.317 -1.538 -6.807 1.00 0.00 C ATOM 112 CG2 VAL A 7 17.448 -1.586 -5.139 1.00 0.00 C ATOM 0 H VAL A 7 16.314 -4.009 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 7 16.721 -1.897 -7.749 1.00 0.00 H new ATOM 0 HB VAL A 7 18.602 -3.260 -5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 7 20.000 -1.248 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 7 19.855 -2.131 -7.546 1.00 0.00 H new ATOM 0 HG13 VAL A 7 18.914 -0.644 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 7 18.156 -1.294 -4.363 1.00 0.00 H new ATOM 0 HG22 VAL A 7 16.995 -0.694 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.671 -2.213 -4.703 1.00 0.00 H new ATOM 122 N TYR A 8 18.393 -2.748 -9.443 1.00 0.00 N ATOM 123 CA TYR A 8 19.143 -3.311 -10.559 1.00 0.00 C ATOM 124 C TYR A 8 20.605 -2.878 -10.508 1.00 0.00 C ATOM 125 O TYR A 8 21.041 -2.035 -11.292 1.00 0.00 O ATOM 126 CB TYR A 8 18.519 -2.883 -11.888 1.00 0.00 C ATOM 127 CG TYR A 8 18.677 -3.907 -12.989 1.00 0.00 C ATOM 128 CD1 TYR A 8 19.716 -4.830 -12.962 1.00 0.00 C ATOM 129 CD2 TYR A 8 17.789 -3.951 -14.057 1.00 0.00 C ATOM 130 CE1 TYR A 8 19.865 -5.766 -13.967 1.00 0.00 C ATOM 131 CE2 TYR A 8 17.930 -4.886 -15.064 1.00 0.00 C ATOM 132 CZ TYR A 8 18.969 -5.791 -15.015 1.00 0.00 C ATOM 133 OH TYR A 8 19.114 -6.722 -16.018 1.00 0.00 O ATOM 0 H TYR A 8 18.229 -1.743 -9.510 1.00 0.00 H new ATOM 0 HA TYR A 8 19.102 -4.397 -10.479 1.00 0.00 H new ATOM 0 HB2 TYR A 8 17.458 -2.687 -11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 8 18.973 -1.945 -12.208 1.00 0.00 H new ATOM 0 HD1 TYR A 8 20.418 -4.815 -12.142 1.00 0.00 H new ATOM 0 HD2 TYR A 8 16.975 -3.242 -14.100 1.00 0.00 H new ATOM 0 HE1 TYR A 8 20.679 -6.475 -13.932 1.00 0.00 H new ATOM 0 HE2 TYR A 8 17.230 -4.908 -15.886 1.00 0.00 H new ATOM 0 HH TYR A 8 18.400 -6.605 -16.679 1.00 0.00 H new ATOM 143 N GLU A 9 21.356 -3.461 -9.579 1.00 0.00 N ATOM 144 CA GLU A 9 22.769 -3.135 -9.425 1.00 0.00 C ATOM 145 C GLU A 9 23.512 -3.298 -10.748 1.00 0.00 C ATOM 146 O GLU A 9 24.542 -2.665 -10.975 1.00 0.00 O ATOM 147 CB GLU A 9 23.407 -4.025 -8.356 1.00 0.00 C ATOM 148 CG GLU A 9 22.674 -3.998 -7.025 1.00 0.00 C ATOM 149 CD GLU A 9 23.453 -4.680 -5.917 1.00 0.00 C ATOM 150 OE1 GLU A 9 24.518 -4.156 -5.530 1.00 0.00 O ATOM 151 OE2 GLU A 9 22.996 -5.739 -5.437 1.00 0.00 O ATOM 0 H GLU A 9 21.010 -4.161 -8.922 1.00 0.00 H new ATOM 0 HA GLU A 9 22.843 -2.094 -9.112 1.00 0.00 H new ATOM 0 HB2 GLU A 9 23.440 -5.051 -8.722 1.00 0.00 H new ATOM 0 HB3 GLU A 9 24.438 -3.709 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 9 22.478 -2.963 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 9 21.706 -4.486 -7.137 1.00 0.00 H new ATOM 158 N ASN A 10 22.981 -4.152 -11.617 1.00 0.00 N ATOM 159 CA ASN A 10 23.595 -4.399 -12.917 1.00 0.00 C ATOM 160 C ASN A 10 23.005 -3.478 -13.981 1.00 0.00 C ATOM 161 O ASN A 10 22.553 -3.935 -15.031 1.00 0.00 O ATOM 162 CB ASN A 10 23.399 -5.860 -13.326 1.00 0.00 C ATOM 163 CG ASN A 10 24.442 -6.776 -12.716 1.00 0.00 C ATOM 164 OD1 ASN A 10 25.572 -6.856 -13.198 1.00 0.00 O ATOM 165 ND2 ASN A 10 24.067 -7.474 -11.650 1.00 0.00 N ATOM 0 H ASN A 10 22.128 -4.684 -11.445 1.00 0.00 H new ATOM 0 HA ASN A 10 24.662 -4.191 -12.833 1.00 0.00 H new ATOM 0 HB2 ASN A 10 22.406 -6.190 -13.020 1.00 0.00 H new ATOM 0 HB3 ASN A 10 23.441 -5.939 -14.412 1.00 0.00 H new ATOM 0 HD21 ASN A 10 24.726 -8.107 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 10 23.120 -7.377 -11.284 1.00 0.00 H new ATOM 172 N TYR A 11 23.014 -2.180 -13.701 1.00 0.00 N ATOM 173 CA TYR A 11 22.479 -1.194 -14.633 1.00 0.00 C ATOM 174 C TYR A 11 23.222 0.133 -14.509 1.00 0.00 C ATOM 175 O TYR A 11 23.597 0.564 -13.419 1.00 0.00 O ATOM 176 CB TYR A 11 20.985 -0.980 -14.380 1.00 0.00 C ATOM 177 CG TYR A 11 20.144 -1.038 -15.636 1.00 0.00 C ATOM 178 CD1 TYR A 11 19.968 -2.233 -16.323 1.00 0.00 C ATOM 179 CD2 TYR A 11 19.525 0.101 -16.133 1.00 0.00 C ATOM 180 CE1 TYR A 11 19.201 -2.290 -17.470 1.00 0.00 C ATOM 181 CE2 TYR A 11 18.755 0.053 -17.280 1.00 0.00 C ATOM 182 CZ TYR A 11 18.597 -1.145 -17.945 1.00 0.00 C ATOM 183 OH TYR A 11 17.831 -1.198 -19.087 1.00 0.00 O ATOM 0 H TYR A 11 23.386 -1.786 -12.837 1.00 0.00 H new ATOM 0 HA TYR A 11 22.619 -1.575 -15.645 1.00 0.00 H new ATOM 0 HB2 TYR A 11 20.631 -1.737 -13.681 1.00 0.00 H new ATOM 0 HB3 TYR A 11 20.841 -0.012 -13.901 1.00 0.00 H new ATOM 0 HD1 TYR A 11 20.439 -3.132 -15.954 1.00 0.00 H new ATOM 0 HD2 TYR A 11 19.647 1.041 -15.615 1.00 0.00 H new ATOM 0 HE1 TYR A 11 19.075 -3.227 -17.992 1.00 0.00 H new ATOM 0 HE2 TYR A 11 18.280 0.948 -17.653 1.00 0.00 H new ATOM 0 HH TYR A 11 17.476 -0.306 -19.285 1.00 0.00 H new ATOM 193 N PRO A 12 23.439 0.797 -15.654 1.00 0.00 N ATOM 194 CA PRO A 12 24.137 2.085 -15.701 1.00 0.00 C ATOM 195 C PRO A 12 23.315 3.214 -15.087 1.00 0.00 C ATOM 196 O PRO A 12 22.156 3.418 -15.448 1.00 0.00 O ATOM 197 CB PRO A 12 24.339 2.325 -17.199 1.00 0.00 C ATOM 198 CG PRO A 12 23.249 1.550 -17.857 1.00 0.00 C ATOM 199 CD PRO A 12 23.018 0.343 -16.990 1.00 0.00 C ATOM 0 HA PRO A 12 25.065 2.066 -15.129 1.00 0.00 H new ATOM 0 HB2 PRO A 12 24.273 3.385 -17.442 1.00 0.00 H new ATOM 0 HB3 PRO A 12 25.321 1.983 -17.526 1.00 0.00 H new ATOM 0 HG2 PRO A 12 22.342 2.148 -17.943 1.00 0.00 H new ATOM 0 HG3 PRO A 12 23.534 1.256 -18.867 1.00 0.00 H new ATOM 0 HD2 PRO A 12 21.972 0.036 -16.999 1.00 0.00 H new ATOM 0 HD3 PRO A 12 23.604 -0.512 -17.327 1.00 0.00 H new ATOM 207 N VAL A 13 23.922 3.944 -14.158 1.00 0.00 N ATOM 208 CA VAL A 13 23.246 5.053 -13.495 1.00 0.00 C ATOM 209 C VAL A 13 22.938 6.176 -14.479 1.00 0.00 C ATOM 210 O VAL A 13 22.101 7.038 -14.211 1.00 0.00 O ATOM 211 CB VAL A 13 24.094 5.617 -12.339 1.00 0.00 C ATOM 212 CG1 VAL A 13 24.570 4.495 -11.429 1.00 0.00 C ATOM 213 CG2 VAL A 13 25.272 6.411 -12.881 1.00 0.00 C ATOM 0 H VAL A 13 24.881 3.788 -13.847 1.00 0.00 H new ATOM 0 HA VAL A 13 22.312 4.660 -13.093 1.00 0.00 H new ATOM 0 HB VAL A 13 23.472 6.291 -11.750 1.00 0.00 H new ATOM 0 HG11 VAL A 13 25.167 4.913 -10.618 1.00 0.00 H new ATOM 0 HG12 VAL A 13 23.708 3.973 -11.013 1.00 0.00 H new ATOM 0 HG13 VAL A 13 25.176 3.794 -12.002 1.00 0.00 H new ATOM 0 HG21 VAL A 13 25.860 6.802 -12.051 1.00 0.00 H new ATOM 0 HG22 VAL A 13 25.897 5.762 -13.494 1.00 0.00 H new ATOM 0 HG23 VAL A 13 24.905 7.239 -13.487 1.00 0.00 H new ATOM 223 N SER A 14 23.620 6.160 -15.620 1.00 0.00 N ATOM 224 CA SER A 14 23.422 7.179 -16.644 1.00 0.00 C ATOM 225 C SER A 14 21.996 7.135 -17.185 1.00 0.00 C ATOM 226 O SER A 14 21.305 8.152 -17.231 1.00 0.00 O ATOM 227 CB SER A 14 24.420 6.984 -17.787 1.00 0.00 C ATOM 228 OG SER A 14 25.273 8.109 -17.916 1.00 0.00 O ATOM 0 H SER A 14 24.315 5.452 -15.858 1.00 0.00 H new ATOM 0 HA SER A 14 23.589 8.155 -16.188 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.017 6.090 -17.605 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.881 6.823 -18.721 1.00 0.00 H new ATOM 0 HG SER A 14 25.903 7.959 -18.652 1.00 0.00 H new ATOM 234 N LYS A 15 21.563 5.948 -17.596 1.00 0.00 N ATOM 235 CA LYS A 15 20.219 5.768 -18.134 1.00 0.00 C ATOM 236 C LYS A 15 19.165 6.189 -17.115 1.00 0.00 C ATOM 237 O LYS A 15 18.084 6.654 -17.481 1.00 0.00 O ATOM 238 CB LYS A 15 20.001 4.308 -18.537 1.00 0.00 C ATOM 239 CG LYS A 15 20.120 4.065 -20.031 1.00 0.00 C ATOM 240 CD LYS A 15 19.511 2.731 -20.430 1.00 0.00 C ATOM 241 CE LYS A 15 20.577 1.746 -20.886 1.00 0.00 C ATOM 242 NZ LYS A 15 20.092 0.877 -21.993 1.00 0.00 N ATOM 0 H LYS A 15 22.123 5.096 -17.567 1.00 0.00 H new ATOM 0 HA LYS A 15 20.119 6.401 -19.016 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.728 3.684 -18.017 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.013 3.992 -18.204 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.622 4.870 -20.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.170 4.088 -20.322 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.964 2.312 -19.585 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.789 2.885 -21.232 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.460 2.293 -21.215 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.882 1.125 -20.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.847 0.220 -22.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.264 0.335 -21.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.825 1.468 -22.806 1.00 0.00 H new ATOM 256 N CYS A 16 19.485 6.024 -15.836 1.00 0.00 N ATOM 257 CA CYS A 16 18.566 6.388 -14.764 1.00 0.00 C ATOM 258 C CYS A 16 18.439 7.904 -14.648 1.00 0.00 C ATOM 259 O CYS A 16 17.358 8.426 -14.377 1.00 0.00 O ATOM 260 CB CYS A 16 19.043 5.801 -13.434 1.00 0.00 C ATOM 261 SG CYS A 16 18.252 4.220 -12.993 1.00 0.00 S ATOM 0 H CYS A 16 20.374 5.640 -15.516 1.00 0.00 H new ATOM 0 HA CYS A 16 17.586 5.977 -15.004 1.00 0.00 H new ATOM 0 HB2 CYS A 16 20.122 5.655 -13.480 1.00 0.00 H new ATOM 0 HB3 CYS A 16 18.853 6.524 -12.641 1.00 0.00 H new ATOM 266 N GLN A 17 19.550 8.603 -14.854 1.00 0.00 N ATOM 267 CA GLN A 17 19.563 10.059 -14.772 1.00 0.00 C ATOM 268 C GLN A 17 18.942 10.680 -16.019 1.00 0.00 C ATOM 269 O GLN A 17 18.617 11.868 -16.037 1.00 0.00 O ATOM 270 CB GLN A 17 20.994 10.568 -14.592 1.00 0.00 C ATOM 271 CG GLN A 17 21.590 10.240 -13.232 1.00 0.00 C ATOM 272 CD GLN A 17 21.267 11.288 -12.186 1.00 0.00 C ATOM 273 OE1 GLN A 17 20.390 12.129 -12.383 1.00 0.00 O ATOM 274 NE2 GLN A 17 21.977 11.243 -11.064 1.00 0.00 N ATOM 0 H GLN A 17 20.453 8.185 -15.079 1.00 0.00 H new ATOM 0 HA GLN A 17 18.969 10.355 -13.907 1.00 0.00 H new ATOM 0 HB2 GLN A 17 21.625 10.137 -15.369 1.00 0.00 H new ATOM 0 HB3 GLN A 17 21.007 11.649 -14.734 1.00 0.00 H new ATOM 0 HG2 GLN A 17 21.215 9.272 -12.899 1.00 0.00 H new ATOM 0 HG3 GLN A 17 22.672 10.148 -13.326 1.00 0.00 H new ATOM 0 HE21 GLN A 17 22.695 10.528 -10.943 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.804 11.923 -10.324 1.00 0.00 H new ATOM 283 N LEU A 18 18.781 9.870 -17.059 1.00 0.00 N ATOM 284 CA LEU A 18 18.199 10.340 -18.312 1.00 0.00 C ATOM 285 C LEU A 18 16.706 10.606 -18.152 1.00 0.00 C ATOM 286 O LEU A 18 15.874 9.777 -18.521 1.00 0.00 O ATOM 287 CB LEU A 18 18.430 9.313 -19.421 1.00 0.00 C ATOM 288 CG LEU A 18 19.658 9.542 -20.303 1.00 0.00 C ATOM 289 CD1 LEU A 18 20.168 8.223 -20.861 1.00 0.00 C ATOM 290 CD2 LEU A 18 19.331 10.510 -21.431 1.00 0.00 C ATOM 0 H LEU A 18 19.045 8.885 -17.060 1.00 0.00 H new ATOM 0 HA LEU A 18 18.689 11.275 -18.584 1.00 0.00 H new ATOM 0 HB2 LEU A 18 18.515 8.327 -18.964 1.00 0.00 H new ATOM 0 HB3 LEU A 18 17.547 9.293 -20.060 1.00 0.00 H new ATOM 0 HG LEU A 18 20.445 9.982 -19.690 1.00 0.00 H new ATOM 0 HD11 LEU A 18 21.042 8.406 -21.486 1.00 0.00 H new ATOM 0 HD12 LEU A 18 20.442 7.562 -20.039 1.00 0.00 H new ATOM 0 HD13 LEU A 18 19.386 7.754 -21.459 1.00 0.00 H new ATOM 0 HD21 LEU A 18 20.216 10.661 -22.049 1.00 0.00 H new ATOM 0 HD22 LEU A 18 18.528 10.098 -22.042 1.00 0.00 H new ATOM 0 HD23 LEU A 18 19.014 11.465 -21.011 1.00 0.00 H new ATOM 302 N ARG A 19 16.373 11.770 -17.603 1.00 0.00 N ATOM 303 CA ARG A 19 14.979 12.146 -17.396 1.00 0.00 C ATOM 304 C ARG A 19 14.236 12.230 -18.725 1.00 0.00 C ATOM 305 O ARG A 19 13.014 12.086 -18.774 1.00 0.00 O ATOM 306 CB ARG A 19 14.894 13.488 -16.666 1.00 0.00 C ATOM 307 CG ARG A 19 14.626 13.355 -15.176 1.00 0.00 C ATOM 308 CD ARG A 19 13.134 13.338 -14.878 1.00 0.00 C ATOM 309 NE ARG A 19 12.863 13.361 -13.443 1.00 0.00 N ATOM 310 CZ ARG A 19 12.959 14.454 -12.695 1.00 0.00 C ATOM 311 NH1 ARG A 19 13.318 15.607 -13.242 1.00 0.00 N ATOM 312 NH2 ARG A 19 12.695 14.395 -11.396 1.00 0.00 N ATOM 0 H ARG A 19 17.049 12.469 -17.294 1.00 0.00 H new ATOM 0 HA ARG A 19 14.508 11.377 -16.784 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.828 14.031 -16.811 1.00 0.00 H new ATOM 0 HB3 ARG A 19 14.103 14.088 -17.117 1.00 0.00 H new ATOM 0 HG2 ARG A 19 15.083 12.438 -14.803 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.095 14.184 -14.645 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.660 14.198 -15.350 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.687 12.446 -15.317 1.00 0.00 H new ATOM 0 HE ARG A 19 12.585 12.490 -12.991 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.521 15.656 -14.240 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.391 16.445 -12.665 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.418 13.510 -10.972 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.769 15.235 -10.822 1.00 0.00 H new ATOM 326 N ILE A 20 14.981 12.463 -19.800 1.00 0.00 N ATOM 327 CA ILE A 20 14.392 12.565 -21.130 1.00 0.00 C ATOM 328 C ILE A 20 14.044 11.188 -21.684 1.00 0.00 C ATOM 329 O ILE A 20 13.116 11.044 -22.480 1.00 0.00 O ATOM 330 CB ILE A 20 15.340 13.277 -22.113 1.00 0.00 C ATOM 331 CG1 ILE A 20 15.925 14.536 -21.470 1.00 0.00 C ATOM 332 CG2 ILE A 20 14.607 13.624 -23.399 1.00 0.00 C ATOM 333 CD1 ILE A 20 16.866 15.297 -22.377 1.00 0.00 C ATOM 0 H ILE A 20 15.993 12.585 -19.776 1.00 0.00 H new ATOM 0 HA ILE A 20 13.480 13.154 -21.027 1.00 0.00 H new ATOM 0 HB ILE A 20 16.160 12.602 -22.357 1.00 0.00 H new ATOM 0 HG12 ILE A 20 15.109 15.194 -21.172 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.457 14.256 -20.561 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.291 14.127 -24.083 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.235 12.711 -23.864 1.00 0.00 H new ATOM 0 HG23 ILE A 20 13.769 14.284 -23.174 1.00 0.00 H new ATOM 0 HD11 ILE A 20 17.242 16.177 -21.855 1.00 0.00 H new ATOM 0 HD12 ILE A 20 17.702 14.655 -22.655 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.333 15.608 -23.276 1.00 0.00 H new ATOM 345 N ALA A 21 14.793 10.177 -21.257 1.00 0.00 N ATOM 346 CA ALA A 21 14.562 8.810 -21.707 1.00 0.00 C ATOM 347 C ALA A 21 14.889 7.807 -20.606 1.00 0.00 C ATOM 348 O ALA A 21 15.974 7.227 -20.586 1.00 0.00 O ATOM 349 CB ALA A 21 15.385 8.518 -22.952 1.00 0.00 C ATOM 0 H ALA A 21 15.566 10.279 -20.599 1.00 0.00 H new ATOM 0 HA ALA A 21 13.505 8.708 -21.952 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.203 7.494 -23.277 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.099 9.207 -23.747 1.00 0.00 H new ATOM 0 HB3 ALA A 21 16.444 8.644 -22.726 1.00 0.00 H new ATOM 355 N ASN A 22 13.945 7.608 -19.693 1.00 0.00 N ATOM 356 CA ASN A 22 14.134 6.675 -18.588 1.00 0.00 C ATOM 357 C ASN A 22 13.968 5.233 -19.059 1.00 0.00 C ATOM 358 O ASN A 22 12.917 4.624 -18.864 1.00 0.00 O ATOM 359 CB ASN A 22 13.140 6.974 -17.464 1.00 0.00 C ATOM 360 CG ASN A 22 13.702 6.650 -16.093 1.00 0.00 C ATOM 361 OD1 ASN A 22 14.917 6.580 -15.909 1.00 0.00 O ATOM 362 ND2 ASN A 22 12.817 6.450 -15.124 1.00 0.00 N ATOM 0 H ASN A 22 13.041 8.080 -19.696 1.00 0.00 H new ATOM 0 HA ASN A 22 15.148 6.800 -18.209 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.862 8.027 -17.500 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.229 6.398 -17.626 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.135 6.228 -14.181 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.819 6.518 -15.323 1.00 0.00 H new ATOM 369 N GLN A 23 15.014 4.695 -19.678 1.00 0.00 N ATOM 370 CA GLN A 23 14.984 3.325 -20.177 1.00 0.00 C ATOM 371 C GLN A 23 14.889 2.329 -19.026 1.00 0.00 C ATOM 372 O GLN A 23 14.644 1.141 -19.237 1.00 0.00 O ATOM 373 CB GLN A 23 16.230 3.037 -21.015 1.00 0.00 C ATOM 374 CG GLN A 23 15.985 3.108 -22.514 1.00 0.00 C ATOM 375 CD GLN A 23 15.023 4.216 -22.896 1.00 0.00 C ATOM 376 OE1 GLN A 23 15.371 5.396 -22.857 1.00 0.00 O ATOM 377 NE2 GLN A 23 13.805 3.840 -23.270 1.00 0.00 N ATOM 0 H GLN A 23 15.892 5.186 -19.846 1.00 0.00 H new ATOM 0 HA GLN A 23 14.100 3.213 -20.805 1.00 0.00 H new ATOM 0 HB2 GLN A 23 17.010 3.750 -20.749 1.00 0.00 H new ATOM 0 HB3 GLN A 23 16.606 2.045 -20.763 1.00 0.00 H new ATOM 0 HG2 GLN A 23 16.934 3.263 -23.027 1.00 0.00 H new ATOM 0 HG3 GLN A 23 15.589 2.153 -22.859 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.560 2.850 -23.288 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.115 4.541 -23.540 1.00 0.00 H new ATOM 386 N CYS A 24 15.087 2.820 -17.807 1.00 0.00 N ATOM 387 CA CYS A 24 15.026 1.974 -16.622 1.00 0.00 C ATOM 388 C CYS A 24 13.617 1.424 -16.418 1.00 0.00 C ATOM 389 O CYS A 24 13.408 0.212 -16.407 1.00 0.00 O ATOM 390 CB CYS A 24 15.462 2.761 -15.384 1.00 0.00 C ATOM 391 SG CYS A 24 14.997 1.981 -13.805 1.00 0.00 S ATOM 0 H CYS A 24 15.291 3.801 -17.614 1.00 0.00 H new ATOM 0 HA CYS A 24 15.707 1.136 -16.770 1.00 0.00 H new ATOM 0 HB2 CYS A 24 16.544 2.887 -15.410 1.00 0.00 H new ATOM 0 HB3 CYS A 24 15.024 3.758 -15.427 1.00 0.00 H new ATOM 396 N ASN A 25 12.653 2.326 -16.257 1.00 0.00 N ATOM 397 CA ASN A 25 11.264 1.932 -16.053 1.00 0.00 C ATOM 398 C ASN A 25 10.780 1.037 -17.190 1.00 0.00 C ATOM 399 O ASN A 25 10.053 0.069 -16.965 1.00 0.00 O ATOM 400 CB ASN A 25 10.371 3.170 -15.949 1.00 0.00 C ATOM 401 CG ASN A 25 10.903 4.184 -14.954 1.00 0.00 C ATOM 402 OD1 ASN A 25 11.942 3.971 -14.329 1.00 0.00 O ATOM 403 ND2 ASN A 25 10.190 5.295 -14.803 1.00 0.00 N ATOM 0 H ASN A 25 12.809 3.334 -16.264 1.00 0.00 H new ATOM 0 HA ASN A 25 11.205 1.370 -15.121 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.287 3.637 -16.930 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.367 2.867 -15.653 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.498 6.014 -14.148 1.00 0.00 H new ATOM 0 HD22 ASN A 25 9.335 5.429 -15.342 1.00 0.00 H new ATOM 410 N TYR A 26 11.189 1.366 -18.410 1.00 0.00 N ATOM 411 CA TYR A 26 10.796 0.593 -19.582 1.00 0.00 C ATOM 412 C TYR A 26 11.489 -0.766 -19.596 1.00 0.00 C ATOM 413 O TYR A 26 10.888 -1.778 -19.955 1.00 0.00 O ATOM 414 CB TYR A 26 11.131 1.362 -20.861 1.00 0.00 C ATOM 415 CG TYR A 26 10.064 1.257 -21.928 1.00 0.00 C ATOM 416 CD1 TYR A 26 9.945 0.114 -22.708 1.00 0.00 C ATOM 417 CD2 TYR A 26 9.175 2.301 -22.154 1.00 0.00 C ATOM 418 CE1 TYR A 26 8.972 0.014 -23.684 1.00 0.00 C ATOM 419 CE2 TYR A 26 8.198 2.209 -23.126 1.00 0.00 C ATOM 420 CZ TYR A 26 8.101 1.064 -23.889 1.00 0.00 C ATOM 421 OH TYR A 26 7.130 0.968 -24.859 1.00 0.00 O ATOM 0 H TYR A 26 11.793 2.163 -18.613 1.00 0.00 H new ATOM 0 HA TYR A 26 9.719 0.431 -19.535 1.00 0.00 H new ATOM 0 HB2 TYR A 26 11.284 2.413 -20.614 1.00 0.00 H new ATOM 0 HB3 TYR A 26 12.073 0.989 -21.263 1.00 0.00 H new ATOM 0 HD1 TYR A 26 10.624 -0.710 -22.549 1.00 0.00 H new ATOM 0 HD2 TYR A 26 9.249 3.200 -21.559 1.00 0.00 H new ATOM 0 HE1 TYR A 26 8.894 -0.881 -24.283 1.00 0.00 H new ATOM 0 HE2 TYR A 26 7.514 3.029 -23.288 1.00 0.00 H new ATOM 0 HH TYR A 26 6.600 1.792 -24.874 1.00 0.00 H new ATOM 431 N ASP A 27 12.758 -0.779 -19.202 1.00 0.00 N ATOM 432 CA ASP A 27 13.534 -2.013 -19.167 1.00 0.00 C ATOM 433 C ASP A 27 12.986 -2.971 -18.114 1.00 0.00 C ATOM 434 O ASP A 27 12.899 -4.178 -18.341 1.00 0.00 O ATOM 435 CB ASP A 27 15.005 -1.707 -18.880 1.00 0.00 C ATOM 436 CG ASP A 27 15.759 -2.919 -18.369 1.00 0.00 C ATOM 437 OD1 ASP A 27 15.974 -3.861 -19.160 1.00 0.00 O ATOM 438 OD2 ASP A 27 16.134 -2.926 -17.177 1.00 0.00 O ATOM 0 H ASP A 27 13.271 0.051 -18.903 1.00 0.00 H new ATOM 0 HA ASP A 27 13.454 -2.491 -20.143 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.482 -1.343 -19.790 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.070 -0.906 -18.144 1.00 0.00 H new ATOM 443 N CYS A 28 12.618 -2.425 -16.959 1.00 0.00 N ATOM 444 CA CYS A 28 12.079 -3.229 -15.869 1.00 0.00 C ATOM 445 C CYS A 28 10.926 -4.102 -16.356 1.00 0.00 C ATOM 446 O CYS A 28 10.979 -5.329 -16.263 1.00 0.00 O ATOM 447 CB CYS A 28 11.604 -2.327 -14.729 1.00 0.00 C ATOM 448 SG CYS A 28 12.943 -1.728 -13.648 1.00 0.00 S ATOM 0 H CYS A 28 12.684 -1.428 -16.754 1.00 0.00 H new ATOM 0 HA CYS A 28 12.874 -3.879 -15.502 1.00 0.00 H new ATOM 0 HB2 CYS A 28 11.082 -1.469 -15.152 1.00 0.00 H new ATOM 0 HB3 CYS A 28 10.881 -2.874 -14.124 1.00 0.00 H new ATOM 453 N LYS A 29 9.885 -3.462 -16.876 1.00 0.00 N ATOM 454 CA LYS A 29 8.719 -4.178 -17.379 1.00 0.00 C ATOM 455 C LYS A 29 9.087 -5.037 -18.585 1.00 0.00 C ATOM 456 O LYS A 29 8.467 -6.073 -18.834 1.00 0.00 O ATOM 457 CB LYS A 29 7.614 -3.190 -17.762 1.00 0.00 C ATOM 458 CG LYS A 29 7.297 -2.180 -16.673 1.00 0.00 C ATOM 459 CD LYS A 29 6.705 -0.905 -17.249 1.00 0.00 C ATOM 460 CE LYS A 29 5.250 -1.096 -17.648 1.00 0.00 C ATOM 461 NZ LYS A 29 4.360 -0.098 -16.994 1.00 0.00 N ATOM 0 H LYS A 29 9.825 -2.447 -16.960 1.00 0.00 H new ATOM 0 HA LYS A 29 8.355 -4.832 -16.586 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.912 -2.657 -18.665 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.709 -3.746 -18.004 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.597 -2.618 -15.962 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.206 -1.943 -16.120 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.779 -0.104 -16.514 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.284 -0.594 -18.119 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.156 -1.012 -18.731 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.928 -2.102 -17.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.448 -0.066 -17.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.203 -0.370 -16.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.806 0.841 -17.029 1.00 0.00 H new ATOM 475 N LEU A 30 10.098 -4.603 -19.329 1.00 0.00 N ATOM 476 CA LEU A 30 10.549 -5.334 -20.508 1.00 0.00 C ATOM 477 C LEU A 30 10.908 -6.773 -20.152 1.00 0.00 C ATOM 478 O LEU A 30 10.423 -7.717 -20.776 1.00 0.00 O ATOM 479 CB LEU A 30 11.758 -4.635 -21.133 1.00 0.00 C ATOM 480 CG LEU A 30 12.100 -5.041 -22.567 1.00 0.00 C ATOM 481 CD1 LEU A 30 12.473 -3.820 -23.393 1.00 0.00 C ATOM 482 CD2 LEU A 30 13.230 -6.060 -22.578 1.00 0.00 C ATOM 0 H LEU A 30 10.621 -3.749 -19.137 1.00 0.00 H new ATOM 0 HA LEU A 30 9.732 -5.351 -21.230 1.00 0.00 H new ATOM 0 HB2 LEU A 30 11.581 -3.560 -21.113 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.628 -4.826 -20.505 1.00 0.00 H new ATOM 0 HG LEU A 30 11.219 -5.501 -23.014 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.713 -4.129 -24.410 1.00 0.00 H new ATOM 0 HD12 LEU A 30 11.634 -3.124 -23.413 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.339 -3.331 -22.948 1.00 0.00 H new ATOM 0 HD21 LEU A 30 13.460 -6.337 -23.607 1.00 0.00 H new ATOM 0 HD22 LEU A 30 14.115 -5.627 -22.113 1.00 0.00 H new ATOM 0 HD23 LEU A 30 12.925 -6.947 -22.023 1.00 0.00 H new ATOM 494 N ASP A 31 11.758 -6.934 -19.143 1.00 0.00 N ATOM 495 CA ASP A 31 12.179 -8.258 -18.701 1.00 0.00 C ATOM 496 C ASP A 31 11.569 -8.598 -17.345 1.00 0.00 C ATOM 497 O ASP A 31 10.713 -9.477 -17.239 1.00 0.00 O ATOM 498 CB ASP A 31 13.704 -8.331 -18.621 1.00 0.00 C ATOM 499 CG ASP A 31 14.309 -9.099 -19.780 1.00 0.00 C ATOM 500 OD1 ASP A 31 14.568 -8.479 -20.833 1.00 0.00 O ATOM 501 OD2 ASP A 31 14.523 -10.321 -19.635 1.00 0.00 O ATOM 0 H ASP A 31 12.169 -6.163 -18.616 1.00 0.00 H new ATOM 0 HA ASP A 31 11.826 -8.987 -19.431 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.113 -7.321 -18.606 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.993 -8.806 -17.684 1.00 0.00 H new ATOM 506 N LYS A 32 12.015 -7.896 -16.309 1.00 0.00 N ATOM 507 CA LYS A 32 11.514 -8.122 -14.958 1.00 0.00 C ATOM 508 C LYS A 32 9.989 -8.139 -14.939 1.00 0.00 C ATOM 509 O LYS A 32 9.376 -8.790 -14.093 1.00 0.00 O ATOM 510 CB LYS A 32 12.035 -7.039 -14.011 1.00 0.00 C ATOM 511 CG LYS A 32 13.529 -6.792 -14.132 1.00 0.00 C ATOM 512 CD LYS A 32 14.167 -6.554 -12.774 1.00 0.00 C ATOM 513 CE LYS A 32 15.614 -6.105 -12.908 1.00 0.00 C ATOM 514 NZ LYS A 32 16.157 -5.591 -11.620 1.00 0.00 N ATOM 0 H LYS A 32 12.723 -7.165 -16.379 1.00 0.00 H new ATOM 0 HA LYS A 32 11.875 -9.094 -14.621 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.504 -6.108 -14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.804 -7.324 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.002 -7.648 -14.612 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.705 -5.929 -14.774 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.599 -5.798 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.122 -7.470 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 32 16.223 -6.941 -13.251 1.00 0.00 H new ATOM 0 HE3 LYS A 32 15.684 -5.327 -13.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 17.028 -5.053 -11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.454 -4.971 -11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.368 -6.390 -10.989 1.00 0.00 H new ATOM 528 N HIS A 33 9.382 -7.419 -15.878 1.00 0.00 N ATOM 529 CA HIS A 33 7.928 -7.353 -15.970 1.00 0.00 C ATOM 530 C HIS A 33 7.338 -6.651 -14.750 1.00 0.00 C ATOM 531 O HIS A 33 6.221 -6.950 -14.330 1.00 0.00 O ATOM 532 CB HIS A 33 7.340 -8.759 -16.098 1.00 0.00 C ATOM 533 CG HIS A 33 6.372 -8.901 -17.232 1.00 0.00 C ATOM 534 ND1 HIS A 33 5.519 -7.891 -17.625 1.00 0.00 N ATOM 535 CD2 HIS A 33 6.125 -9.943 -18.060 1.00 0.00 C ATOM 536 CE1 HIS A 33 4.789 -8.307 -18.645 1.00 0.00 C ATOM 537 NE2 HIS A 33 5.137 -9.549 -18.928 1.00 0.00 N ATOM 0 H HIS A 33 9.875 -6.874 -16.585 1.00 0.00 H new ATOM 0 HA HIS A 33 7.670 -6.777 -16.859 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.152 -9.473 -16.233 1.00 0.00 H new ATOM 0 HB3 HIS A 33 6.837 -9.020 -15.167 1.00 0.00 H new ATOM 0 HD2 HIS A 33 6.614 -10.906 -18.041 1.00 0.00 H new ATOM 0 HE1 HIS A 33 4.036 -7.729 -19.160 1.00 0.00 H new ATOM 0 HE2 HIS A 33 4.737 -10.122 -19.671 1.00 0.00 H new ATOM 545 N ALA A 34 8.097 -5.718 -14.186 1.00 0.00 N ATOM 546 CA ALA A 34 7.649 -4.973 -13.016 1.00 0.00 C ATOM 547 C ALA A 34 6.343 -4.238 -13.300 1.00 0.00 C ATOM 548 O ALA A 34 5.747 -4.401 -14.365 1.00 0.00 O ATOM 549 CB ALA A 34 8.723 -3.991 -12.572 1.00 0.00 C ATOM 0 H ALA A 34 9.025 -5.460 -14.520 1.00 0.00 H new ATOM 0 HA ALA A 34 7.468 -5.685 -12.211 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.375 -3.442 -11.697 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.633 -4.536 -12.320 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.932 -3.291 -13.381 1.00 0.00 H new ATOM 555 N ARG A 35 5.903 -3.431 -12.341 1.00 0.00 N ATOM 556 CA ARG A 35 4.666 -2.673 -12.487 1.00 0.00 C ATOM 557 C ARG A 35 4.892 -1.422 -13.332 1.00 0.00 C ATOM 558 O ARG A 35 4.244 -1.231 -14.361 1.00 0.00 O ATOM 559 CB ARG A 35 4.117 -2.282 -11.114 1.00 0.00 C ATOM 560 CG ARG A 35 4.185 -3.402 -10.089 1.00 0.00 C ATOM 561 CD ARG A 35 3.698 -2.939 -8.725 1.00 0.00 C ATOM 562 NE ARG A 35 2.315 -2.473 -8.767 1.00 0.00 N ATOM 563 CZ ARG A 35 1.719 -1.848 -7.757 1.00 0.00 C ATOM 564 NH1 ARG A 35 2.383 -1.614 -6.633 1.00 0.00 N ATOM 565 NH2 ARG A 35 0.457 -1.454 -7.871 1.00 0.00 N ATOM 0 H ARG A 35 6.385 -3.285 -11.454 1.00 0.00 H new ATOM 0 HA ARG A 35 3.938 -3.307 -12.994 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.676 -1.424 -10.740 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.080 -1.964 -11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.579 -4.243 -10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.211 -3.761 -10.008 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.783 -3.759 -8.012 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.340 -2.136 -8.364 1.00 0.00 H new ATOM 0 HE ARG A 35 1.777 -2.636 -9.618 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.354 -1.914 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.923 -1.134 -5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.056 -1.631 -8.734 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.000 -0.974 -7.095 1.00 0.00 H new ATOM 579 N SER A 36 5.814 -0.574 -12.889 1.00 0.00 N ATOM 580 CA SER A 36 6.122 0.661 -13.602 1.00 0.00 C ATOM 581 C SER A 36 7.630 0.865 -13.707 1.00 0.00 C ATOM 582 O SER A 36 8.161 1.114 -14.789 1.00 0.00 O ATOM 583 CB SER A 36 5.482 1.856 -12.894 1.00 0.00 C ATOM 584 OG SER A 36 4.229 2.180 -13.473 1.00 0.00 O ATOM 0 H SER A 36 6.361 -0.719 -12.040 1.00 0.00 H new ATOM 0 HA SER A 36 5.712 0.583 -14.609 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.350 1.628 -11.836 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.147 2.717 -12.954 1.00 0.00 H new ATOM 0 HG SER A 36 3.839 2.946 -13.002 1.00 0.00 H new ATOM 590 N GLY A 37 8.316 0.759 -12.573 1.00 0.00 N ATOM 591 CA GLY A 37 9.756 0.936 -12.557 1.00 0.00 C ATOM 592 C GLY A 37 10.162 2.377 -12.319 1.00 0.00 C ATOM 593 O GLY A 37 9.522 3.299 -12.824 1.00 0.00 O ATOM 0 H GLY A 37 7.900 0.554 -11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.187 0.307 -11.778 1.00 0.00 H new ATOM 0 HA3 GLY A 37 10.171 0.597 -13.506 1.00 0.00 H new ATOM 597 N GLU A 38 11.225 2.571 -11.546 1.00 0.00 N ATOM 598 CA GLU A 38 11.712 3.911 -11.240 1.00 0.00 C ATOM 599 C GLU A 38 13.174 3.872 -10.803 1.00 0.00 C ATOM 600 O GLU A 38 13.715 2.809 -10.497 1.00 0.00 O ATOM 601 CB GLU A 38 10.858 4.550 -10.143 1.00 0.00 C ATOM 602 CG GLU A 38 9.608 5.235 -10.667 1.00 0.00 C ATOM 603 CD GLU A 38 9.045 6.249 -9.690 1.00 0.00 C ATOM 604 OE1 GLU A 38 8.250 5.850 -8.813 1.00 0.00 O ATOM 605 OE2 GLU A 38 9.400 7.441 -9.801 1.00 0.00 O ATOM 0 H GLU A 38 11.765 1.818 -11.120 1.00 0.00 H new ATOM 0 HA GLU A 38 11.637 4.513 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 38 10.568 3.782 -9.426 1.00 0.00 H new ATOM 0 HB3 GLU A 38 11.462 5.279 -9.602 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.839 5.733 -11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.849 4.483 -10.882 1.00 0.00 H new ATOM 612 N CYS A 39 13.809 5.039 -10.779 1.00 0.00 N ATOM 613 CA CYS A 39 15.208 5.140 -10.382 1.00 0.00 C ATOM 614 C CYS A 39 15.356 5.988 -9.121 1.00 0.00 C ATOM 615 O CYS A 39 14.701 7.020 -8.974 1.00 0.00 O ATOM 616 CB CYS A 39 16.039 5.744 -11.516 1.00 0.00 C ATOM 617 SG CYS A 39 16.172 4.680 -12.988 1.00 0.00 S ATOM 0 H CYS A 39 13.377 5.928 -11.030 1.00 0.00 H new ATOM 0 HA CYS A 39 15.573 4.135 -10.168 1.00 0.00 H new ATOM 0 HB2 CYS A 39 15.597 6.697 -11.808 1.00 0.00 H new ATOM 0 HB3 CYS A 39 17.041 5.958 -11.144 1.00 0.00 H new ATOM 622 N PHE A 40 16.221 5.545 -8.215 1.00 0.00 N ATOM 623 CA PHE A 40 16.455 6.262 -6.967 1.00 0.00 C ATOM 624 C PHE A 40 17.902 6.099 -6.509 1.00 0.00 C ATOM 625 O PHE A 40 18.599 5.178 -6.935 1.00 0.00 O ATOM 626 CB PHE A 40 15.504 5.758 -5.879 1.00 0.00 C ATOM 627 CG PHE A 40 14.053 5.960 -6.211 1.00 0.00 C ATOM 628 CD1 PHE A 40 13.430 7.169 -5.944 1.00 0.00 C ATOM 629 CD2 PHE A 40 13.312 4.942 -6.788 1.00 0.00 C ATOM 630 CE1 PHE A 40 12.095 7.359 -6.248 1.00 0.00 C ATOM 631 CE2 PHE A 40 11.977 5.126 -7.094 1.00 0.00 C ATOM 632 CZ PHE A 40 11.368 6.335 -6.823 1.00 0.00 C ATOM 0 H PHE A 40 16.772 4.693 -8.322 1.00 0.00 H new ATOM 0 HA PHE A 40 16.266 7.321 -7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 40 15.686 4.696 -5.712 1.00 0.00 H new ATOM 0 HB3 PHE A 40 15.730 6.271 -4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.994 7.972 -5.493 1.00 0.00 H new ATOM 0 HD2 PHE A 40 13.783 3.994 -7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.621 8.306 -6.036 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.410 4.325 -7.545 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.324 6.480 -7.060 1.00 0.00 H new ATOM 642 N TYR A 41 18.346 7.000 -5.640 1.00 0.00 N ATOM 643 CA TYR A 41 19.709 6.959 -5.126 1.00 0.00 C ATOM 644 C TYR A 41 19.849 5.901 -4.036 1.00 0.00 C ATOM 645 O TYR A 41 18.880 5.559 -3.360 1.00 0.00 O ATOM 646 CB TYR A 41 20.111 8.329 -4.577 1.00 0.00 C ATOM 647 CG TYR A 41 20.400 9.352 -5.653 1.00 0.00 C ATOM 648 CD1 TYR A 41 19.382 10.129 -6.192 1.00 0.00 C ATOM 649 CD2 TYR A 41 21.691 9.541 -6.129 1.00 0.00 C ATOM 650 CE1 TYR A 41 19.642 11.064 -7.175 1.00 0.00 C ATOM 651 CE2 TYR A 41 21.961 10.475 -7.111 1.00 0.00 C ATOM 652 CZ TYR A 41 20.932 11.233 -7.631 1.00 0.00 C ATOM 653 OH TYR A 41 21.195 12.164 -8.610 1.00 0.00 O ATOM 0 H TYR A 41 17.781 7.768 -5.277 1.00 0.00 H new ATOM 0 HA TYR A 41 20.373 6.696 -5.950 1.00 0.00 H new ATOM 0 HB2 TYR A 41 19.312 8.703 -3.937 1.00 0.00 H new ATOM 0 HB3 TYR A 41 20.995 8.214 -3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 41 18.370 10.000 -5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 41 22.498 8.948 -5.725 1.00 0.00 H new ATOM 0 HE1 TYR A 41 18.839 11.659 -7.584 1.00 0.00 H new ATOM 0 HE2 TYR A 41 22.971 10.611 -7.469 1.00 0.00 H new ATOM 0 HH TYR A 41 22.105 12.509 -8.497 1.00 0.00 H new ATOM 663 N ASP A 42 21.063 5.387 -3.873 1.00 0.00 N ATOM 664 CA ASP A 42 21.333 4.369 -2.864 1.00 0.00 C ATOM 665 C ASP A 42 21.890 4.999 -1.591 1.00 0.00 C ATOM 666 O ASP A 42 21.863 6.218 -1.428 1.00 0.00 O ATOM 667 CB ASP A 42 22.317 3.331 -3.407 1.00 0.00 C ATOM 668 CG ASP A 42 21.985 1.924 -2.949 1.00 0.00 C ATOM 669 OD1 ASP A 42 20.792 1.557 -2.978 1.00 0.00 O ATOM 670 OD2 ASP A 42 22.919 1.190 -2.561 1.00 0.00 O ATOM 0 H ASP A 42 21.876 5.658 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 42 20.392 3.875 -2.621 1.00 0.00 H new ATOM 0 HB2 ASP A 42 22.313 3.366 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 42 23.326 3.587 -3.083 1.00 0.00 H new ATOM 675 N GLU A 43 22.392 4.158 -0.692 1.00 0.00 N ATOM 676 CA GLU A 43 22.953 4.634 0.567 1.00 0.00 C ATOM 677 C GLU A 43 24.243 5.413 0.328 1.00 0.00 C ATOM 678 O GLU A 43 24.641 6.243 1.146 1.00 0.00 O ATOM 679 CB GLU A 43 23.222 3.457 1.508 1.00 0.00 C ATOM 680 CG GLU A 43 22.045 2.506 1.645 1.00 0.00 C ATOM 681 CD GLU A 43 21.720 2.184 3.091 1.00 0.00 C ATOM 682 OE1 GLU A 43 21.018 2.990 3.736 1.00 0.00 O ATOM 683 OE2 GLU A 43 22.169 1.124 3.577 1.00 0.00 O ATOM 0 H GLU A 43 22.422 3.145 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 43 22.226 5.302 1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 43 24.086 2.902 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 43 23.483 3.843 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.169 2.947 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 43 22.266 1.581 1.112 1.00 0.00 H new ATOM 690 N LYS A 44 24.893 5.139 -0.798 1.00 0.00 N ATOM 691 CA LYS A 44 26.137 5.814 -1.147 1.00 0.00 C ATOM 692 C LYS A 44 25.896 6.890 -2.201 1.00 0.00 C ATOM 693 O LYS A 44 26.814 7.284 -2.921 1.00 0.00 O ATOM 694 CB LYS A 44 27.163 4.801 -1.663 1.00 0.00 C ATOM 695 CG LYS A 44 28.043 4.218 -0.571 1.00 0.00 C ATOM 696 CD LYS A 44 29.462 4.755 -0.652 1.00 0.00 C ATOM 697 CE LYS A 44 29.985 5.156 0.719 1.00 0.00 C ATOM 698 NZ LYS A 44 31.317 5.816 0.632 1.00 0.00 N ATOM 0 H LYS A 44 24.578 4.454 -1.485 1.00 0.00 H new ATOM 0 HA LYS A 44 26.526 6.292 -0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 44 26.638 3.990 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 44 27.795 5.284 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 44 27.619 4.455 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 44 28.059 3.131 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 44 30.115 3.997 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 44 29.489 5.617 -1.319 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.275 5.832 1.195 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.058 4.272 1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 31.639 6.074 1.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 32.001 5.162 0.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 31.242 6.673 0.048 1.00 0.00 H new ATOM 712 N ARG A 45 24.656 7.362 -2.285 1.00 0.00 N ATOM 713 CA ARG A 45 24.295 8.393 -3.250 1.00 0.00 C ATOM 714 C ARG A 45 24.475 7.887 -4.679 1.00 0.00 C ATOM 715 O ARG A 45 24.902 8.630 -5.561 1.00 0.00 O ATOM 716 CB ARG A 45 25.144 9.647 -3.031 1.00 0.00 C ATOM 717 CG ARG A 45 25.145 10.138 -1.593 1.00 0.00 C ATOM 718 CD ARG A 45 24.375 11.441 -1.449 1.00 0.00 C ATOM 719 NE ARG A 45 24.964 12.316 -0.439 1.00 0.00 N ATOM 720 CZ ARG A 45 24.898 12.082 0.867 1.00 0.00 C ATOM 721 NH1 ARG A 45 24.272 11.004 1.319 1.00 0.00 N ATOM 722 NH2 ARG A 45 25.460 12.925 1.723 1.00 0.00 N ATOM 0 H ARG A 45 23.885 7.047 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 45 23.245 8.643 -3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 45 26.170 9.439 -3.336 1.00 0.00 H new ATOM 0 HB3 ARG A 45 24.775 10.443 -3.678 1.00 0.00 H new ATOM 0 HG2 ARG A 45 24.702 9.379 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 45 26.172 10.282 -1.257 1.00 0.00 H new ATOM 0 HD2 ARG A 45 24.354 11.958 -2.409 1.00 0.00 H new ATOM 0 HD3 ARG A 45 23.341 11.223 -1.182 1.00 0.00 H new ATOM 0 HE ARG A 45 25.453 13.154 -0.754 1.00 0.00 H new ATOM 0 HH11 ARG A 45 23.840 10.353 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 45 24.222 10.826 2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 45 25.944 13.754 1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 45 25.408 12.744 2.725 1.00 0.00 H new ATOM 736 N ASN A 46 24.147 6.618 -4.897 1.00 0.00 N ATOM 737 CA ASN A 46 24.274 6.012 -6.218 1.00 0.00 C ATOM 738 C ASN A 46 22.902 5.688 -6.802 1.00 0.00 C ATOM 739 O ASN A 46 22.180 4.836 -6.283 1.00 0.00 O ATOM 740 CB ASN A 46 25.120 4.740 -6.140 1.00 0.00 C ATOM 741 CG ASN A 46 26.338 4.910 -5.252 1.00 0.00 C ATOM 742 OD1 ASN A 46 26.907 5.998 -5.160 1.00 0.00 O ATOM 743 ND2 ASN A 46 26.744 3.831 -4.592 1.00 0.00 N ATOM 0 H ASN A 46 23.791 5.989 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 46 24.768 6.729 -6.873 1.00 0.00 H new ATOM 0 HB2 ASN A 46 24.508 3.922 -5.760 1.00 0.00 H new ATOM 0 HB3 ASN A 46 25.441 4.458 -7.143 1.00 0.00 H new ATOM 0 HD21 ASN A 46 27.558 3.884 -3.979 1.00 0.00 H new ATOM 0 HD22 ASN A 46 26.242 2.949 -4.698 1.00 0.00 H new ATOM 750 N LEU A 47 22.549 6.373 -7.884 1.00 0.00 N ATOM 751 CA LEU A 47 21.264 6.158 -8.540 1.00 0.00 C ATOM 752 C LEU A 47 21.211 4.783 -9.197 1.00 0.00 C ATOM 753 O LEU A 47 22.024 4.468 -10.065 1.00 0.00 O ATOM 754 CB LEU A 47 21.015 7.246 -9.586 1.00 0.00 C ATOM 755 CG LEU A 47 19.778 8.118 -9.367 1.00 0.00 C ATOM 756 CD1 LEU A 47 19.780 9.298 -10.326 1.00 0.00 C ATOM 757 CD2 LEU A 47 18.509 7.295 -9.535 1.00 0.00 C ATOM 0 H LEU A 47 23.134 7.082 -8.326 1.00 0.00 H new ATOM 0 HA LEU A 47 20.484 6.207 -7.781 1.00 0.00 H new ATOM 0 HB2 LEU A 47 21.890 7.895 -9.622 1.00 0.00 H new ATOM 0 HB3 LEU A 47 20.931 6.770 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 47 19.805 8.504 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 47 18.892 9.907 -10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 47 20.672 9.902 -10.158 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.777 8.932 -11.353 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.639 7.932 -9.376 1.00 0.00 H new ATOM 0 HD22 LEU A 47 18.475 6.880 -10.542 1.00 0.00 H new ATOM 0 HD23 LEU A 47 18.503 6.483 -8.808 1.00 0.00 H new ATOM 769 N GLN A 48 20.247 3.969 -8.778 1.00 0.00 N ATOM 770 CA GLN A 48 20.087 2.628 -9.327 1.00 0.00 C ATOM 771 C GLN A 48 18.672 2.422 -9.858 1.00 0.00 C ATOM 772 O GLN A 48 17.732 3.088 -9.424 1.00 0.00 O ATOM 773 CB GLN A 48 20.404 1.577 -8.262 1.00 0.00 C ATOM 774 CG GLN A 48 21.817 1.675 -7.711 1.00 0.00 C ATOM 775 CD GLN A 48 22.225 0.443 -6.927 1.00 0.00 C ATOM 776 OE1 GLN A 48 22.789 -0.500 -7.482 1.00 0.00 O ATOM 777 NE2 GLN A 48 21.941 0.445 -5.630 1.00 0.00 N ATOM 0 H GLN A 48 19.565 4.215 -8.060 1.00 0.00 H new ATOM 0 HA GLN A 48 20.786 2.516 -10.156 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.695 1.679 -7.441 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.257 0.585 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 48 22.515 1.824 -8.535 1.00 0.00 H new ATOM 0 HG3 GLN A 48 21.892 2.552 -7.068 1.00 0.00 H new ATOM 0 HE21 GLN A 48 21.472 1.249 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 48 22.192 -0.357 -5.052 1.00 0.00 H new ATOM 786 N CYS A 49 18.528 1.495 -10.798 1.00 0.00 N ATOM 787 CA CYS A 49 17.228 1.200 -11.390 1.00 0.00 C ATOM 788 C CYS A 49 16.428 0.253 -10.500 1.00 0.00 C ATOM 789 O CYS A 49 16.620 -0.963 -10.540 1.00 0.00 O ATOM 790 CB CYS A 49 17.404 0.586 -12.780 1.00 0.00 C ATOM 791 SG CYS A 49 15.838 0.209 -13.630 1.00 0.00 S ATOM 0 H CYS A 49 19.296 0.934 -11.167 1.00 0.00 H new ATOM 0 HA CYS A 49 16.677 2.136 -11.482 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.984 1.272 -13.397 1.00 0.00 H new ATOM 0 HB3 CYS A 49 17.986 -0.331 -12.689 1.00 0.00 H new ATOM 796 N ILE A 50 15.531 0.818 -9.700 1.00 0.00 N ATOM 797 CA ILE A 50 14.701 0.025 -8.802 1.00 0.00 C ATOM 798 C ILE A 50 13.339 -0.264 -9.424 1.00 0.00 C ATOM 799 O ILE A 50 12.594 0.654 -9.767 1.00 0.00 O ATOM 800 CB ILE A 50 14.496 0.734 -7.450 1.00 0.00 C ATOM 801 CG1 ILE A 50 15.821 0.823 -6.690 1.00 0.00 C ATOM 802 CG2 ILE A 50 13.452 0.001 -6.621 1.00 0.00 C ATOM 803 CD1 ILE A 50 16.223 2.239 -6.342 1.00 0.00 C ATOM 0 H ILE A 50 15.360 1.823 -9.655 1.00 0.00 H new ATOM 0 HA ILE A 50 15.228 -0.914 -8.633 1.00 0.00 H new ATOM 0 HB ILE A 50 14.138 1.746 -7.638 1.00 0.00 H new ATOM 0 HG12 ILE A 50 15.744 0.240 -5.772 1.00 0.00 H new ATOM 0 HG13 ILE A 50 16.607 0.368 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.318 0.514 -5.669 1.00 0.00 H new ATOM 0 HG22 ILE A 50 12.505 -0.016 -7.161 1.00 0.00 H new ATOM 0 HG23 ILE A 50 13.784 -1.021 -6.439 1.00 0.00 H new ATOM 0 HD11 ILE A 50 17.171 2.226 -5.805 1.00 0.00 H new ATOM 0 HD12 ILE A 50 16.332 2.821 -7.257 1.00 0.00 H new ATOM 0 HD13 ILE A 50 15.456 2.691 -5.713 1.00 0.00 H new ATOM 815 N CYS A 51 13.018 -1.546 -9.565 1.00 0.00 N ATOM 816 CA CYS A 51 11.745 -1.957 -10.144 1.00 0.00 C ATOM 817 C CYS A 51 10.732 -2.285 -9.051 1.00 0.00 C ATOM 818 O CYS A 51 11.088 -2.425 -7.881 1.00 0.00 O ATOM 819 CB CYS A 51 11.943 -3.172 -11.052 1.00 0.00 C ATOM 820 SG CYS A 51 13.331 -3.008 -12.221 1.00 0.00 S ATOM 0 H CYS A 51 13.623 -2.318 -9.286 1.00 0.00 H new ATOM 0 HA CYS A 51 11.359 -1.128 -10.737 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.107 -4.053 -10.432 1.00 0.00 H new ATOM 0 HB3 CYS A 51 11.026 -3.345 -11.615 1.00 0.00 H new ATOM 825 N ASP A 52 9.468 -2.407 -9.442 1.00 0.00 N ATOM 826 CA ASP A 52 8.402 -2.719 -8.497 1.00 0.00 C ATOM 827 C ASP A 52 7.863 -4.127 -8.732 1.00 0.00 C ATOM 828 O ASP A 52 7.378 -4.444 -9.819 1.00 0.00 O ATOM 829 CB ASP A 52 7.269 -1.699 -8.618 1.00 0.00 C ATOM 830 CG ASP A 52 7.308 -0.943 -9.931 1.00 0.00 C ATOM 831 OD1 ASP A 52 7.430 -1.597 -10.988 1.00 0.00 O ATOM 832 OD2 ASP A 52 7.217 0.302 -9.902 1.00 0.00 O ATOM 0 H ASP A 52 9.157 -2.295 -10.407 1.00 0.00 H new ATOM 0 HA ASP A 52 8.817 -2.671 -7.490 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.311 -2.211 -8.526 1.00 0.00 H new ATOM 0 HB3 ASP A 52 7.332 -0.990 -7.792 1.00 0.00 H new ATOM 837 N TYR A 53 7.952 -4.968 -7.708 1.00 0.00 N ATOM 838 CA TYR A 53 7.477 -6.343 -7.804 1.00 0.00 C ATOM 839 C TYR A 53 6.331 -6.592 -6.828 1.00 0.00 C ATOM 840 O TYR A 53 6.537 -6.674 -5.617 1.00 0.00 O ATOM 841 CB TYR A 53 8.620 -7.320 -7.526 1.00 0.00 C ATOM 842 CG TYR A 53 9.274 -7.860 -8.778 1.00 0.00 C ATOM 843 CD1 TYR A 53 10.285 -7.153 -9.416 1.00 0.00 C ATOM 844 CD2 TYR A 53 8.880 -9.075 -9.323 1.00 0.00 C ATOM 845 CE1 TYR A 53 10.885 -7.641 -10.561 1.00 0.00 C ATOM 846 CE2 TYR A 53 9.475 -9.572 -10.466 1.00 0.00 C ATOM 847 CZ TYR A 53 10.477 -8.851 -11.082 1.00 0.00 C ATOM 848 OH TYR A 53 11.071 -9.342 -12.222 1.00 0.00 O ATOM 0 H TYR A 53 8.349 -4.722 -6.801 1.00 0.00 H new ATOM 0 HA TYR A 53 7.109 -6.504 -8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 53 9.375 -6.820 -6.919 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.239 -8.154 -6.937 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.608 -6.206 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.095 -9.641 -8.845 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.669 -7.078 -11.045 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.158 -10.520 -10.875 1.00 0.00 H new ATOM 0 HH TYR A 53 10.383 -9.530 -12.894 1.00 0.00 H new ATOM 858 N CYS A 54 5.122 -6.714 -7.366 1.00 0.00 N ATOM 859 CA CYS A 54 3.941 -6.955 -6.545 1.00 0.00 C ATOM 860 C CYS A 54 2.744 -7.335 -7.413 1.00 0.00 C ATOM 861 O CYS A 54 2.339 -8.496 -7.454 1.00 0.00 O ATOM 862 CB CYS A 54 3.609 -5.713 -5.715 1.00 0.00 C ATOM 863 SG CYS A 54 4.124 -5.825 -3.972 1.00 0.00 S ATOM 0 H CYS A 54 4.934 -6.650 -8.367 1.00 0.00 H new ATOM 0 HA CYS A 54 4.159 -7.785 -5.873 1.00 0.00 H new ATOM 0 HB2 CYS A 54 4.089 -4.846 -6.170 1.00 0.00 H new ATOM 0 HB3 CYS A 54 2.534 -5.539 -5.755 1.00 0.00 H new